SCHEMBL172357

SCHEMBL172357

Cc1ccc(-c2ccc(C3=CCC(C)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
KDM1A O60341 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C1 Q04828 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13000116 0.95 KDM1A (0.31) AKR1C3AKR1C2KDM1AAKR1B10AKR1C4
SCHEMBL13000418 0.89 ESR2 (0.31)
SCHEMBL13089758 0.88 ESR2 (0.35)
SCHEMBL172342 0.86 SLC6A4 (0.31)
SCHEMBL24589329 0.84 AKR1C3 (0.42) AKR1C3AKR1C2KDM1AAKR1B10AKR1C4
SCHEMBL4549784 0.84 ALOX5AP (0.34)
SCHEMBL15870927 0.84 ESR2 (0.35) AKR1C3AKR1C2KDM1AAKR1B10AKR1C4
SCHEMBL17490632 0.83 SLC6A4 (0.38) PDE3BPDE3A
SCHEMBL12999865 0.83 HSD11B1 (0.30)
SCHEMBL17359283 0.82 SLC6A4 (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8945420-B2 Liquid crystal display and liquid crystalline medium MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
US-8945420-B2 Liquid crystal display and liquid crystalline medium MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
EP-2199362-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2012-08-29 EP disclosed
US-8202584-B2 Liquid-crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2012-06-19 US disclosed
US-8168081-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-01 US disclosed
EP-2182046-B1 Liquid-crystalline medium and liquid crystal display MERCK PATENT GMBH (DE) 2012-03-07 EP disclosed
US-8043671-B2 Liquid-crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-25 US disclosed
EP-2041239-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-09-07 EP disclosed
EP-2239310-A1 Liquid crystal medium and liquid crystal display Merck Patent GmbH (DE) 2010-10-13 EP disclosed
US-20100252777-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-07 US disclosed
EP-2199362-A2 Liquid crystalline medium Merck Patent GmbH (DE) 2010-06-23 EP disclosed
WO-2010057575-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2010-05-27 WO disclosed
US-20100108945-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-05-06 US disclosed
EP-2182046-A1 Liquid-crystalline medium and liquid crystal display Merck Patent GmbH (DE) 2010-05-05 EP disclosed
US-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
WO-2009129911-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH, (DE) 2009-10-29 WO disclosed
WO-2009115186-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2009-09-24 WO disclosed
WO-2008009417-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2008-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM CUTA, NEFM, FES AKR1C3 4423/4885AKR1C2 4412/4885KDM1A 4462/4885
US-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications VIM, CDH1, LEF1 AKR1C3 3315/4885AKR1C2 3318/4885KDM1A 1995/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.